SCHEMBL29540944

SCHEMBL29540944

CN[C@@H](CC(C)(C)F)C(=O)OC(C)C=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.32
▸ MMP8 P22894 1/20 0.30
▸ CTSL P07711 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19088642 0.80 TAS1R3 (0.36) SCN9A
SCHEMBL19088625 0.78 CA2 (0.37) MMP8CTSL
SCHEMBL23693345 0.75 MMP8 (0.41) MMP8
SCHEMBL20166210 0.75 MMP8 (0.41) MMP8
SCHEMBL18256483 0.73 CTSS (0.42) CTSL
SCHEMBL22502813 0.71 TDP1 (0.38) —
SCHEMBL23279562 0.70 CTSS (0.38) MMP8CTSL
SCHEMBL20166237 0.70 CTSL (0.36) CTSL
SCHEMBL18248048 0.70 CTSL (0.36) CTSL
SCHEMBL20166234 0.70 CTSL (0.36) CTSL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2022-03-31 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP SCN9A 3594/4885MMP8 735/4885CTSL 129/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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